3-[(2-ethoxyphenyl)methylamino]propane-1-sulfonic acid

Systemtic Name: 3-[(2-ethoxyphenyl)methylamino]propane-1-sulfonic acid Openeye Name: 3-[(2-ethoxyphenyl)methylamino]propane-1-sulfonic acid CAS Name: 3-[(2-ethoxyphenyl)methylamino]-1-propanesulfonic acid IUPAC Name: 3-[(2-ethoxyphenyl)methylamino]propane-1-sulfonic acid Traditional Name: 3-[(2-ethoxybenzyl)amino]propane-1-sulfonic acid Formula: C12H19NO4S MolecularWeight: 273.34856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CNCCCS(=O)(=O)O

Isomeric SMILES

CCOC1=CC=CC=C1CNCCCS(=O)(=O)O

InChI

InChI=1S/C12H19NO4S/c1-2-17-12-7-4-3-6-11(12)10-13-8-5-9-18(14,15)16/h3-4,6-7,13H,2,5,8-10H2,1H3,(H,14,15,16)